(S)-1-Fluoro-2-propylamine hydrochloride

C₃H₉ClFNCAS 458560-63-9113.56 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₃H₉ClFN
Molar mass: 113.56 g/mol
Exact mass: 113.0408 Da
logP: 0.72Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

458560-63-9

SMILES

C[C@@H](CF)N.Cl

InChIKey

FHXAJBGANRCCBG-DFWYDOINSA-N

InChI

InChI=1S/C3H8FN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m0./s1

Weigh it out

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Names and synonyms

1 names

(2S)-1-Fluoropropan-2-amine hydrochloride

Work with (S)-1-Fluoro-2-propylamine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-1-Fluoro-2-propylamine hydrochloride273734-17-1Enantiomer

Similar compounds

(S)-(-)-1,2-Propanediamine dihydrochloride19777-66-352 % similar (+)-1,2-Propanediamine dihydrochloride19777-67-452 % similar 1,3-Dimethylbutylamine hydrochloride71776-70-050 % similar (1,5-Dimethylhexyl)ammonium chloride5984-59-844 % similar 4-Methyl-2-hexanamine hydrochloride13803-74-243 % similar L-Beta-homoalanine hydrochloride58610-41-640 % similar (-)-sec-Butylamine13250-12-939 % similar sec-Butylamine13952-84-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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